Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 16/20 | 0.50 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.50 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | G6PD | P11413 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1489646 | 0.79 | ADORA2A (0.55) | ADORA2AADORA1ADORA3ADORA2BKDM4E | |
| SCHEMBL28870957 | 0.76 | HTT (0.62) | ADORA2AADORA1ADORA3ADORA2BKDM4E | |
| SCHEMBL29080878 | 0.75 | NOTUM (0.48) | ADORA2AADORA1ADORA3ADORA2BKDM4E | |
| SCHEMBL2547816 | 0.72 | ADORA2A (0.80) | ADORA2AADORA1ADORA3ADORA2BKDM4E | |
| SCHEMBL28186628 | 0.71 | ALDH1A1 (0.55) | ADORA2AADORA1ADORA3ADORA2BKDM4E | |
| SCHEMBL9520789 | 0.70 | KDM4E (0.50) | ADORA2AADORA1ADORA3ADORA2BKDM4E | |
| SCHEMBL6079917 | 0.70 | ADORA2A (0.57) | ADORA2AADORA1ADORA3ADORA2BKDM4E | |
| SCHEMBL4289 | 0.70 | KDM4E (0.50) | ADORA2AADORA1ADORA3ADORA2BKDM4E | |
| SCHEMBL30261053 | 0.70 | KDM4E (0.50) | ADORA2AADORA1ADORA3ADORA2BKDM4E | |
| SCHEMBL961121 | 0.69 | ADORA2A (0.47) | ADORA2AADORA1ADORA3ADORA2BKDM4E |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110290808-A | 1- (the bromo- 6- of 4- amino -5- (1H- pyrazol-1-yl) pyrimidine -2-base) -1H- pyrazoles -4- alcohol and its purposes in treating cancer | 诺华股份有限公司 | 2019-09-27 | — | — | CN | disclosed |